#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:07:39 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257485 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/98/7239849.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7239849
loop_
_publ_author_name
'Abdallah, Ahmad'
'Puget, Marin'
'Daiguebonne, Carole'
'Suffren, Yan'
'Calvez, Guillaume'
'Bernot, Kevin'
'Guillou, Olivier'
_publ_section_title
;
 A new series of lanthanide-based complexes with a
 bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and
 magnetic and optical properties
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2020
_journal_page_last               2030
_journal_paper_doi               10.1039/C9CE01592B
_journal_volume                  22
_journal_year                    2020
_chemical_formula_sum            'C42 H40 B2 O20 Tb2'
_chemical_formula_weight         1204.2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2019-04-11T13:19:13-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2019-04-12 deposited with the CCDC.	2020-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                107.789(5)
_cell_angle_beta                 90.226(5)
_cell_angle_gamma                97.585(5)
_cell_formula_units_Z            2
_cell_length_a                   9.3329(13)
_cell_length_b                   16.012(2)
_cell_length_c                   16.212(2)
_cell_measurement_reflns_used    9831
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.52
_cell_measurement_wavelength     0.71073
_cell_volume                     2284.2(5)
_computing_cell_refinement       'APEX3 (Bruker, 2015); SAINT (Bruker, 2014)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      0.003679
_diffrn_orient_matrix_UB_12      -0.054301
_diffrn_orient_matrix_UB_13      -0.050468
_diffrn_orient_matrix_UB_21      0.053863
_diffrn_orient_matrix_UB_22      0.036992
_diffrn_orient_matrix_UB_23      -0.032702
_diffrn_orient_matrix_UB_31      0.093783
_diffrn_orient_matrix_UB_32      -0.008424
_diffrn_orient_matrix_UB_33      0.024271
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.076
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10515
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_reduction_process
;
        Scaled and merged with Sortav
        R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
        R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.16
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.15
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         6.722
_refine_diff_density_min         -2.608
_refine_diff_density_rms         0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     595
_refine_ls_number_reflns         10515
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0989P)²+4.3677P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1547
_reflns_Friedel_coverage         0
_reflns_number_gt                8188
_reflns_number_total             10515
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01592b2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;Adding full bibliography for 7239849--7239850.cif.

 Adding full bibliography for 7239849--7239850.cif.
;
_cod_database_code               7239849
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Tb01 Tb 1.07383(3) 0.49882(2) 0.35592(2) 0.01092(10) Uani 1 1 d . .
Tb02 Tb 0.57441(3) 0.50110(2) 0.14446(2) 0.01120(10) Uani 1 1 d . .
O003 O 0.8909(5) 0.3996(3) 0.5076(3) 0.0166(9) Uani 1 1 d . .
O004 O 0.5648(5) 0.3971(3) 0.0092(3) 0.0177(9) Uani 1 1 d . .
O005 O 0.4027(5) 0.3743(3) -0.0991(3) 0.0199(10) Uani 1 1 d . .
O006 O 0.9810(4) 0.6254(3) 0.3322(3) 0.0166(9) Uani 1 1 d . .
O007 O 1.1711(5) 0.4117(3) 0.2303(3) 0.0158(9) Uani 1 1 d . .
O008 O 1.0383(5) 0.3715(3) 0.3980(3) 0.0200(10) Uani 1 1 d . .
O009 O 0.9350(4) 0.4242(3) 0.2275(3) 0.0152(9) Uani 1 1 d . .
O010 O 0.6570(5) 0.3842(3) 0.1904(3) 0.0196(10) Uani 1 1 d . .
O011 O 0.8187(5) 0.5144(3) 0.0943(3) 0.0189(9) Uani 1 1 d . .
O012 O 0.4690(4) 0.5779(3) 0.2717(3) 0.0152(9) Uani 1 1 d . .
C013 C 0.5088(7) 0.2595(4) 0.2116(4) 0.0172(13) Uani 1 1 d . .
O014 O 1.2100(5) 0.6167(3) 0.3120(3) 0.0190(10) Uani 1 1 d . .
O015 O 0.4231(5) 0.3748(3) 0.1676(3) 0.0168(9) Uani 1 1 d . .
C016 C 0.6098(9) 0.9024(5) 0.4855(5) 0.0315(17) Uani 1 1 d . .
H016 H 0.611371 0.959695 0.522729 0.038 Uiso 1 1 calc R U
O017 O 1.3120(5) 0.4859(3) 0.4070(3) 0.0180(9) Uani 1 1 d . .
C018 C 1.1024(7) 0.6567(4) 0.3107(4) 0.0139(12) Uani 1 1 d . .
O019 O 0.7100(5) 0.5904(3) 0.2703(3) 0.0175(9) Uani 1 1 d . .
B020 B 0.5959(7) 0.6257(5) 0.3266(4) 0.0138(13) Uani 1 1 d . .
O021 O 1.0594(5) 0.4046(3) 0.0897(3) 0.0191(9) Uani 1 1 d . .
C022 C 0.9665(8) 0.2013(5) 0.1638(5) 0.0277(16) Uani 1 1 d . .
H022 H 0.9708 0.211286 0.223452 0.033 Uiso 1 1 calc R U
C023 C 0.6093(8) 0.8324(5) 0.5194(5) 0.0249(15) Uani 1 1 d . .
H023 H 0.610729 0.841501 0.578895 0.03 Uiso 1 1 calc R U
O024 O 0.3321(5) 0.5077(3) 0.0980(3) 0.0198(10) Uani 1 1 d . .
B025 B 1.0409(7) 0.3770(5) 0.1740(5) 0.0155(14) Uani 1 1 d . .
O026 O 0.6164(6) 0.6581(3) 0.5549(3) 0.0251(11) Uani 1 1 d . .
O027 O 0.6005(5) 0.5957(3) 0.4097(3) 0.0175(9) Uani 1 1 d . .
O028 O 0.8273(4) 0.4917(3) 0.3991(3) 0.0186(9) Uani 1 1 d . .
C029 C 1.2596(10) 0.8461(5) 0.2329(6) 0.038(2) Uani 1 1 d . .
H029 H 1.344373 0.864334 0.209508 0.046 Uiso 1 1 calc R U
C030 C 1.1509(10) 0.8981(5) 0.2485(5) 0.0350(19) Uani 1 1 d . .
H030 H 1.162132 0.951443 0.235857 0.042 Uiso 1 1 calc R U
O031 O 1.0462(6) 0.3404(4) -0.0549(3) 0.0280(11) Uani 1 1 d . .
C032 C 0.9923(7) 0.2522(4) 0.0409(4) 0.0190(13) Uani 1 1 d . .
C033 C 1.0351(7) 0.3351(4) 0.0173(4) 0.0186(13) Uani 1 1 d . .
C034 C 0.9289(9) 0.1158(5) 0.1081(6) 0.0346(18) Uani 1 1 d . .
H034 H 0.909071 0.068878 0.130626 0.042 Uiso 1 1 calc R U
C035 C 0.6027(6) 0.7301(4) 0.3700(4) 0.0155(12) Uani 1 1 d . .
C036 C 0.6065(7) 0.7481(4) 0.4603(4) 0.0175(13) Uani 1 1 d . .
C037 C 0.6079(7) 0.6650(4) 0.4823(4) 0.0179(13) Uani 1 1 d . .
C038 C 0.5303(7) 0.3428(4) 0.1901(4) 0.0151(12) Uani 1 1 d . .
C039 C 0.4454(7) 0.2510(4) -0.0563(4) 0.0167(12) Uani 1 1 d . .
C040 C 0.9975(6) 0.2714(4) 0.1311(4) 0.0145(12) Uani 1 1 d . .
C041 C 0.9395(7) 0.2523(4) 0.4467(4) 0.0183(13) Uani 1 1 d . .
C042 C 0.4720(6) 0.3463(4) -0.0484(4) 0.0151(12) Uani 1 1 d . .
C043 C 0.3763(8) 0.2051(5) 0.1907(5) 0.0300(17) Uani 1 1 d . .
H043 H 0.30137 0.222634 0.164873 0.036 Uiso 1 1 calc R U
C044 C 1.1173(7) 0.7393(4) 0.2871(4) 0.0180(13) Uani 1 1 d . .
C045 C 0.5445(8) 0.2132(5) -0.0196(4) 0.0242(15) Uani 1 1 d . .
H045 H 0.626731 0.247829 0.011554 0.029 Uiso 1 1 calc R U
C046 C 1.0071(8) 0.7923(5) 0.3020(5) 0.0255(15) Uani 1 1 d . .
H046 H 0.921697 0.77427 0.325001 0.031 Uiso 1 1 calc R U
C047 C 1.0234(9) 0.8706(5) 0.2833(5) 0.0304(16) Uani 1 1 d . .
H047 H 0.949372 0.905551 0.293739 0.036 Uiso 1 1 calc R U
C048 C 0.9540(8) 0.1665(5) -0.0163(5) 0.0311(17) Uani 1 1 d . .
H048 H 0.951529 0.15579 -0.076014 0.037 Uiso 1 1 calc R U
C049 C 0.9585(7) 0.3476(4) 0.4511(4) 0.0166(12) Uani 1 1 d . .
C050 C 0.2984(10) 0.1082(6) -0.1123(6) 0.041(2) Uani 1 1 d . .
H050 H 0.216087 0.073411 -0.143118 0.05 Uiso 1 1 calc R U
C051 C 1.0221(9) 0.1102(5) 0.4042(6) 0.037(2) Uani 1 1 d . .
H051 H 1.089002 0.073893 0.376913 0.045 Uiso 1 1 calc R U
C052 C 0.8227(8) 0.2173(5) 0.4849(4) 0.0237(14) Uani 1 1 d . .
H052 H 0.755464 0.253329 0.512239 0.028 Uiso 1 1 calc R U
C053 C 1.0384(8) 0.1974(5) 0.4062(5) 0.0252(15) Uani 1 1 d . .
H053 H 1.116438 0.219814 0.380003 0.03 Uiso 1 1 calc R U
C054 C 0.5181(9) 0.1218(5) -0.0304(6) 0.0351(19) Uani 1 1 d . .
H054 H 0.583352 0.095679 -0.006254 0.042 Uiso 1 1 calc R U
C055 C 0.6030(8) 0.8028(5) 0.3385(5) 0.0250(15) Uani 1 1 d . .
H055 H 0.599931 0.794144 0.27912 0.03 Uiso 1 1 calc R U
C056 C 0.9207(9) 0.0997(5) 0.0184(6) 0.0378(19) Uani 1 1 d . .
H056 H 0.891899 0.04239 -0.017982 0.045 Uiso 1 1 calc R U
C057 C 0.3216(8) 0.1977(5) -0.1027(5) 0.0273(15) Uani 1 1 d . .
H057 H 0.254909 0.222792 -0.127017 0.033 Uiso 1 1 calc R U
C058 C 0.9055(10) 0.0762(5) 0.4431(6) 0.039(2) Uani 1 1 d . .
H058 H 0.894746 0.017497 0.442587 0.047 Uiso 1 1 calc R U
C059 C 0.5988(10) 0.1542(5) 0.2693(5) 0.0365(18) Uani 1 1 d . .
H059 H 0.673143 0.137689 0.29655 0.044 Uiso 1 1 calc R U
C060 C 0.6195(8) 0.2326(5) 0.2516(5) 0.0303(16) Uani 1 1 d . .
H060 H 0.708296 0.268698 0.266182 0.036 Uiso 1 1 calc R U
C061 C 0.4688(11) 0.0991(6) 0.2472(6) 0.040(2) Uani 1 1 d . .
H061 H 0.456667 0.044915 0.258105 0.049 Uiso 1 1 calc R U
C064 C 1.2442(8) 0.7673(5) 0.2517(5) 0.0286(16) Uani 1 1 d . .
H064 H 1.318565 0.732537 0.240818 0.034 Uiso 1 1 calc R U
C065 C 0.3548(10) 0.1248(5) 0.2082(6) 0.038(2) Uani 1 1 d . .
H065 H 0.266131 0.088506 0.194244 0.046 Uiso 1 1 calc R U
C066 C 0.8062(9) 0.1303(5) 0.4825(5) 0.0336(18) Uani 1 1 d . .
H066 H 0.727136 0.107566 0.507611 0.04 Uiso 1 1 calc R U
C067 C 0.6080(9) 0.8875(5) 0.3965(6) 0.0342(18) Uani 1 1 d . .
H067 H 0.610138 0.935373 0.375222 0.041 Uiso 1 1 calc R U
C071 C 0.3953(10) 0.0703(6) -0.0770(6) 0.044(2) Uani 1 1 d . .
H071 H 0.378959 0.009906 -0.084114 0.052 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O003 Tb01 O008 97.63(16) 2_766 .
O003 Tb01 O009 152.61(15) 2_766 .
O008 Tb01 O009 90.04(17) . .
O003 Tb01 O007 149.37(15) 2_766 .
O008 Tb01 O007 86.30(16) . .
O009 Tb01 O007 56.99(14) . .
O003 Tb01 O028 81.13(15) 2_766 .
O008 Tb01 O028 76.40(15) . .
O009 Tb01 O028 75.17(15) . .
O007 Tb01 O028 128.99(15) . .
O003 Tb01 O017 74.75(15) 2_766 .
O008 Tb01 O017 75.69(16) . .
O009 Tb01 O017 132.62(14) . .
O007 Tb01 O017 76.89(15) . .
O028 Tb01 O017 139.94(15) . .
O003 Tb01 O014 83.58(16) 2_766 .
O008 Tb01 O014 156.56(16) . .
O009 Tb01 O014 99.60(16) . .
O007 Tb01 O014 81.31(15) . .
O028 Tb01 O014 126.65(15) . .
O017 Tb01 O014 82.14(15) . .
O003 Tb01 O006 78.87(15) 2_766 .
O008 Tb01 O006 150.07(15) . .
O009 Tb01 O006 81.43(15) . .
O007 Tb01 O006 111.92(15) . .
O028 Tb01 O006 73.69(14) . .
O017 Tb01 O006 130.16(15) . .
O014 Tb01 O006 53.25(14) . .
O003 Tb01 C018 80.60(17) 2_766 .
O008 Tb01 C018 176.51(16) . .
O009 Tb01 C018 90.22(17) . .
O007 Tb01 C018 96.76(16) . .
O028 Tb01 C018 100.32(16) . .
O017 Tb01 C018 106.59(17) . .
O014 Tb01 C018 26.53(16) . .
O006 Tb01 C018 26.72(16) . .
O003 Tb01 B025 175.77(18) 2_766 .
O008 Tb01 B025 86.19(19) . .
O009 Tb01 B025 28.44(16) . .
O007 Tb01 B025 28.65(17) . .
O028 Tb01 B025 101.61(17) . .
O017 Tb01 B025 104.59(17) . .
O014 Tb01 B025 92.19(18) . .
O006 Tb01 B025 98.73(18) . .
C018 Tb01 B025 95.68(19) . .
O004 Tb02 O005 97.50(16) . 2_665
O004 Tb02 O012 152.82(15) . .
O005 Tb02 O012 90.38(16) 2_665 .
O004 Tb02 O019 149.37(15) . .
O005 Tb02 O019 86.53(16) 2_665 .
O012 Tb02 O019 56.70(14) . .
O004 Tb02 O024 81.19(15) . .
O005 Tb02 O024 75.94(16) 2_665 .
O012 Tb02 O024 75.55(15) . .
O019 Tb02 O024 128.91(15) . .
O004 Tb02 O010 82.87(16) . .
O005 Tb02 O010 156.41(16) 2_665 .
O012 Tb02 O010 100.03(16) . .
O019 Tb02 O010 81.76(16) . .
O024 Tb02 O010 127.07(16) . .
O004 Tb02 O011 74.71(16) . .
O005 Tb02 O011 75.02(15) 2_665 .
O012 Tb02 O011 132.45(15) . .
O019 Tb02 O011 77.11(15) . .
O024 Tb02 O011 139.06(16) . .
O010 Tb02 O011 82.42(15) . .
O004 Tb02 O015 78.09(15) . .
O005 Tb02 O015 149.77(15) 2_665 .
O012 Tb02 O015 82.05(15) . .
O019 Tb02 O015 112.59(16) . .
O024 Tb02 O015 73.83(15) . .
O010 Tb02 O015 53.54(14) . .
O011 Tb02 O015 130.48(14) . .
O004 Tb02 C038 79.48(17) . .
O005 Tb02 C038 175.77(17) 2_665 .
O012 Tb02 C038 91.04(17) . .
O019 Tb02 C038 97.58(17) . .
O024 Tb02 C038 100.56(17) . .
O010 Tb02 C038 26.68(17) . .
O011 Tb02 C038 106.82(16) . .
O015 Tb02 C038 26.86(16) . .
O004 Tb02 B020 175.29(18) . .
O005 Tb02 B020 86.78(18) 2_665 .
O012 Tb02 B020 28.28(16) . .
O019 Tb02 B020 28.49(16) . .
O024 Tb02 B020 101.84(17) . .
O010 Tb02 B020 92.43(18) . .
O011 Tb02 B020 104.66(17) . .
O015 Tb02 B020 99.20(17) . .
C038 Tb02 B020 96.35(18) . .
C049 O003 Tb01 140.6(4) . 2_766
C042 O004 Tb02 140.0(4) . .
C042 O005 Tb02 136.5(4) . 2_665
C018 O006 Tb01 93.6(4) . .
B025 O007 Tb01 100.7(3) . .
C049 O008 Tb01 133.8(4) . .
B025 O009 Tb01 101.2(4) . .
C038 O010 Tb02 94.7(4) . .
B020 O012 Tb02 101.8(3) . .
C043 C013 C060 118.9(7) . .
C043 C013 C038 119.6(6) . .
C060 C013 C038 121.5(6) . .
C018 O014 Tb01 94.5(4) . .
C038 O015 Tb02 94.0(4) . .
C067 C016 C023 120.6(7) . .
O014 C018 O006 118.6(6) . .
O014 C018 C044 121.0(6) . .
O006 C018 C044 120.4(6) . .
O014 C018 Tb01 59.0(3) . .
O006 C018 Tb01 59.6(3) . .
C044 C018 Tb01 180.0(7) . .
B020 O019 Tb02 101.5(3) . .
O012 B020 O019 99.9(5) . .
O012 B020 O027 109.6(5) . .
O019 B020 O027 109.1(5) . .
O012 B020 C035 118.1(5) . .
O019 B020 C035 119.9(5) . .
O027 B020 C035 100.2(5) . .
O012 B020 Tb02 50.0(3) . .
O019 B020 Tb02 50.1(3) . .
O027 B020 Tb02 124.2(4) . .
C035 B020 Tb02 135.6(4) . .
C033 O021 B025 112.6(5) . .
C040 C022 C034 120.3(7) . .
C036 C023 C016 117.0(7) . .
O009 B025 O007 100.8(5) . .
O009 B025 O021 110.4(5) . .
O007 B025 O021 109.6(5) . .
O009 B025 C040 116.7(5) . .
O007 B025 C040 119.8(6) . .
O021 B025 C040 99.6(5) . .
O009 B025 Tb01 50.3(3) . .
O007 B025 Tb01 50.7(3) . .
O021 B025 Tb01 126.3(4) . .
C040 B025 Tb01 134.1(4) . .
C037 O027 B020 111.4(5) . .
C030 C029 C064 120.6(7) . .
C029 C030 C047 119.7(7) . .
C040 C032 C048 123.0(6) . .
C040 C032 C033 110.0(6) . .
C048 C032 C033 126.9(6) . .
O031 C033 O021 124.2(6) . .
O031 C033 C032 126.3(6) . .
O021 C033 C032 109.6(5) . .
C022 C034 C056 120.6(7) . .
C036 C035 C055 116.9(6) . .
C036 C035 B020 108.1(5) . .
C055 C035 B020 135.0(6) . .
C023 C036 C035 124.2(6) . .
C023 C036 C037 125.9(6) . .
C035 C036 C037 109.9(5) . .
O026 C037 O027 123.2(6) . .
O026 C037 C036 126.4(6) . .
O027 C037 C036 110.4(5) . .
O010 C038 O015 117.8(6) . .
O010 C038 C013 121.0(6) . .
O015 C038 C013 121.2(6) . .
O010 C038 Tb02 58.6(3) . .
O015 C038 Tb02 59.2(3) . .
C013 C038 Tb02 178.6(4) . .
C045 C039 C057 119.7(6) . .
C045 C039 C042 120.3(6) . .
C057 C039 C042 120.0(6) . .
C022 C040 C032 117.4(6) . .
C022 C040 B025 134.4(6) . .
C032 C040 B025 108.1(5) . .
C053 C041 C052 118.8(6) . .
C053 C041 C049 120.9(6) . .
C052 C041 C049 120.3(6) . .
O005 C042 O004 122.5(6) . .
O005 C042 C039 118.8(6) . .
O004 C042 C039 118.7(6) . .
C065 C043 C013 120.6(7) . .
C046 C044 C064 118.7(6) . .
C046 C044 C018 120.7(6) . .
C064 C044 C018 120.6(6) . .
C039 C045 C054 118.9(7) . .
C047 C046 C044 120.7(7) . .
C046 C047 C030 120.2(7) . .
C056 C048 C032 117.7(7) . .
O008 C049 O003 123.6(6) . .
O008 C049 C041 118.4(6) . .
O003 C049 C041 118.0(5) . .
C071 C050 C057 120.6(8) . .
C053 C051 C058 120.0(8) . .
C066 C052 C041 120.5(7) . .
C051 C053 C041 120.6(7) . .
C071 C054 C045 120.4(8) . .
C067 C055 C035 119.7(7) . .
C048 C056 C034 120.8(7) . .
C050 C057 C039 120.2(7) . .
C066 C058 C051 119.5(8) . .
C060 C059 C061 120.7(8) . .
C059 C060 C013 120.7(7) . .
C059 C061 C065 119.9(7) . .
C029 C064 C044 120.2(7) . .
C043 C065 C061 119.1(8) . .
C052 C066 C058 120.6(7) . .
C016 C067 C055 121.5(7) . .
C050 C071 C054 120.1(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb01 O003 2.303(4) 2_766
Tb01 O008 2.325(4) .
Tb01 O009 2.343(4) .
Tb01 O007 2.352(4) .
Tb01 O028 2.406(4) .
Tb01 O017 2.425(4) .
Tb01 O014 2.425(4) .
Tb01 O006 2.439(4) .
Tb01 C018 2.821(6) .
Tb01 B025 2.986(7) .
Tb02 O004 2.306(4) .
Tb02 O005 2.313(4) 2_665
Tb02 O012 2.350(4) .
Tb02 O019 2.351(4) .
Tb02 O024 2.407(4) .
Tb02 O010 2.425(4) .
Tb02 O011 2.428(4) .
Tb02 O015 2.436(4) .
Tb02 C038 2.831(6) .
Tb02 B020 3.005(7) .
O003 C049 1.268(7) .
O004 C042 1.276(7) .
O005 C042 1.262(8) .
O006 C018 1.271(7) .
O007 B025 1.457(8) .
O008 C049 1.255(7) .
O009 B025 1.450(8) .
O010 C038 1.275(8) .
O012 B020 1.454(8) .
C013 C043 1.391(10) .
C013 C060 1.398(10) .
C013 C038 1.468(9) .
O014 C018 1.264(8) .
O015 C038 1.282(8) .
C016 C067 1.387(12) .
C016 C023 1.390(10) .
C018 C044 1.475(9) .
O019 B020 1.462(8) .
B020 O027 1.565(8) .
B020 C035 1.595(9) .
O021 C033 1.341(8) .
O021 B025 1.562(8) .
C022 C040 1.380(9) .
C022 C034 1.388(11) .
C023 C036 1.393(9) .
B025 C040 1.614(9) .
O026 C037 1.219(8) .
O027 C037 1.342(7) .
C029 C030 1.372(12) .
C029 C064 1.376(11) .
C030 C047 1.396(11) .
O031 C033 1.203(8) .
C032 C040 1.400(9) .
C032 C048 1.400(10) .
C032 C033 1.496(9) .
C034 C056 1.396(12) .
C035 C036 1.402(9) .
C035 C055 1.406(9) .
C036 C037 1.480(9) .
C039 C045 1.392(9) .
C039 C057 1.403(10) .
C039 C042 1.480(9) .
C041 C053 1.386(9) .
C041 C052 1.393(9) .
C041 C049 1.492(9) .
C043 C065 1.389(10) .
C044 C046 1.395(10) .
C044 C064 1.399(9) .
C045 C054 1.409(10) .
C046 C047 1.367(10) .
C048 C056 1.356(12) .
C050 C071 1.367(13) .
C050 C057 1.380(11) .
C051 C053 1.376(10) .
C051 C058 1.392(12) .
C052 C066 1.370(10) .
C054 C071 1.387(13) .
C055 C067 1.390(11) .
C058 C066 1.376(12) .
C059 C060 1.361(11) .
C059 C061 1.379(13) .
C061 C065 1.403(13) .
